(2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane

C17H17F5OS — CID 155206785

IUPAC(2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane
SMILESC=CCOC(CS(F)(F)(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17F5OS/c1-2-13-23-17(14-24(18,19,20,21)22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2
InChIKeyFRFFPZDVADQXPD-UHFFFAOYSA-N
MW364.38 g/mol
LogP6.43
Rot. Bonds7

About (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane

(2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane (PubChem CID 155206785) has the molecular formula C17H17F5OS and a molecular weight of 364.38 g/mol. Its IUPAC name is (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name(2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane
PubChem CID155206785
Molecular FormulaC17H17F5OS
Molecular Weight364.38 g/mol
Exact Mass364.09
IUPAC Name(2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane
SMILESC=CCOC(CS(F)(F)(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17F5OS/c1-2-13-23-17(14-24(18,19,20,21)22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2
InChIKeyFRFFPZDVADQXPD-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.38
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene
CID 11000538
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
[(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene
CID 101079968
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772
2-prop-2-enoxypent-3-yn-2-ylbenzene
CID 11321595
1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol
CID 173322831
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
[buta-2,3-dienoxy(diphenyl)methyl]benzene
CID 102150346
bis(1,1-diphenylprop-2-enyl)phosphane
CID 67252408

Frequently Asked Questions

What is the IUPAC name of (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane?
The IUPAC name of (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane (CID 155206785) is (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane.
What is the SMILES notation for (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane?
The canonical SMILES for (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane is C=CCOC(CS(F)(F)(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane?
The InChIKey is FRFFPZDVADQXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5OS/c1-2-13-23-17(14-24(18,19,20,21)22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2.
What are the key properties of (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane?
(2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane has a molecular weight of 364.38 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenyl-2-prop-2-enoxyethyl)-pentafluoro-λ6-sulfane is sourced from PubChem (CID 155206785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).